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Chemical ID: 7388259
Chemical ID:
7388259
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CCC(C)C)C
InChi [?]:
InChI=1/C21H27N5O2/c1-13(2)6-7-26-19(27)17-18(23(5)21(26)28)22-20-24(8-9-25(17)20)16-11-14(3)10-15(4)12-16/h10-13H,6-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:26,27,1,28,22,24,23,9,10,3,7,5,25,2,4,6,15,14,16,12,19,13,21,8,11,18,17,20/E:(1,2)(3,4)(11,12)(14,15)/rA:28nCCCCCCCNCCNCNCCCONCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;d12;s13;s11d14;s15;d16;s16;s18;d19;s14s19;s21;s18;s23;s24;s25;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N5O2 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5808 |
Area: | 598.513 |
Solvation: | -2.38201 |
Coulombic: | -56.6472 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.472 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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